2-(2,6-difluorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide

C12H11F2N3O — CID 113253809

IUPAC2-(2,6-difluorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
SMILESCc1cn[nH]c1NC(=O)Cc1c(F)cccc1F
InChIInChI=1S/C12H11F2N3O/c1-7-6-15-17-12(7)16-11(18)5-8-9(13)3-2-4-10(8)14/h2-4,6H,5H2,1H3,(H2,15,16,17,18)
InChIKeyHMKAOPQVKASXHM-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.18
Rot. Bonds3

About 2-(2,6-difluorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide

2-(2,6-difluorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide (PubChem CID 113253809) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
PubChem CID113253809
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-(2,6-difluorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
SMILESCc1cn[nH]c1NC(=O)Cc1c(F)cccc1F
InChIInChI=1S/C12H11F2N3O/c1-7-6-15-17-12(7)16-11(18)5-8-9(13)3-2-4-10(8)14/h2-4,6H,5H2,1H3,(H2,15,16,17,18)
InChIKeyHMKAOPQVKASXHM-UHFFFAOYSA-N
XLogP2.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 113253808
2-(4-chlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 113236911
2-(2,6-difluorophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)acetamide
CID 106834565
2-(3,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 112691199
2-(4-butylphenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 115630203
2-[4-(difluoromethoxy)phenyl]-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 115629978
3-(3-fluorophenoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 112691171
2-(5-amino-2-pyridinyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 107339612
N-(4-methyl-1H-pyrazol-5-yl)-2-(4-nitrophenyl)acetamide
CID 112691354
4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)butanamide
CID 104621856
4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)pentanamide
CID 104621851
2-cyclopropyl-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 115629912

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide (CID 113253809) is 2-(2,6-difluorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide is Cc1cn[nH]c1NC(=O)Cc1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide?
The InChIKey is HMKAOPQVKASXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-7-6-15-17-12(7)16-11(18)5-8-9(13)3-2-4-10(8)14/h2-4,6H,5H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-(2,6-difluorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide?
2-(2,6-difluorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide has a molecular weight of 251.24 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 113253809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).